General Information of the Compound
| Compound ID |
CP0458860
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N2O
|
||||||||||||||||||
| Molecular Weight |
326.484
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMDFXUUOQUKLKK-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound